SIMILAR PATTERNS OF AMINO ACIDS FOR 5I3C_C_AC2C301_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 GLY C 376
VAL C 371
GLU C 374
ASP C 378
ILE C 377
 None
 1.22A 5i3cC-1d7wC:
undetectable		 5i3cC-1d7wC:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hsl HISTIDINE-BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		5 GLY A   9
VAL A  48
GLU A  49
SER A  69
ILE A  64
 None
None
None
HIS  A 239 (-4.6A)
None
 0.91A 5i3cC-1hslA:
undetectable		 5i3cC-1hslA:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		7 GLY A  91
VAL A 179
GLU A 180
MET A 181
GLU A 182
SER A 204
ASP A 205
 FMB  A 270 (-3.3A)
FMB  A 270 (-4.6A)
FMB  A 270 (-4.6A)
FMB  A 270 (-3.8A)
FMB  A 270 (-2.8A)
FMB  A 270 (-3.2A)
None
 0.66A 5i3cC-1jdzA:
33.7		 5i3cC-1jdzA:
32.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcx DIHYDROPYRIMIDINASE
RELATED PROTEIN-1

(Mus musculus) 		PF01979
(Amidohydro_1) 		5 GLY A 354
ALA A 281
VAL A 355
GLU A 360
SER A  85
 None
 1.18A 5i3cC-1kcxA:
undetectable		 5i3cC-1kcxA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 SER A 155
GLY A 149
VAL A 190
SER A 132
ILE A  65
 POP  A1155 (-1.5A)
None
None
None
None
 1.11A 5i3cC-1ocmA:
undetectable		 5i3cC-1ocmA:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		7 MET A  65
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
ILE A 206
 ADN  A1237 (-4.1A)
ADN  A1237 (-3.4A)
ADN  A1237 (-4.9A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
ADN  A1237 ( 3.7A)
ADN  A1237 (-4.4A)
 0.52A 5i3cC-1odiA:
36.1		 5i3cC-1odiA:
35.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		6 GLY A 177
ALA A 156
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
2FA  A 306 ( 4.2A)
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
 1.37A 5i3cC-1pk9A:
43.4		 5i3cC-1pk9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		7 MET A  64
ALA A 156
VAL A 178
MET A 180
SER A 203
ASP A 204
ILE A 206
 2FA  A 306 (-3.6A)
2FA  A 306 ( 4.2A)
2FA  A 306 (-4.8A)
2FA  A 306 (-3.8A)
2FA  A 306 ( 3.9A)
2FA  A 306 (-3.1A)
None
 0.75A 5i3cC-1pk9A:
43.4		 5i3cC-1pk9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		10 MET A  64
SER A  90
GLY A  92
ALA A 156
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
ILE A 206
 2FA  A 306 (-3.6A)
PO4  A 309 ( 2.7A)
2FA  A 306 (-3.5A)
2FA  A 306 ( 4.2A)
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
2FA  A 306 ( 3.9A)
None
 0.22A 5i3cC-1pk9A:
43.4		 5i3cC-1pk9A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qqj FUMARYLACETOACETATE
HYDROLASE

(Mus musculus) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		5 GLY A 256
ALA A 236
GLU A 243
SER A 165
ILE A 173
 None
 1.19A 5i3cC-1qqjA:
undetectable		 5i3cC-1qqjA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		5 MET A 293
GLY A 454
VAL A 455
GLU A 456
ASP A 502
 None
 1.13A 5i3cC-1r6vA:
2.7		 5i3cC-1r6vA:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s70 130 KDA
MYOSIN-BINDING
SUBUNIT OF SMOOTH
MUSCLE MYOSIN
PHOPHATASE (M130)

(Gallus gallus) 		PF12796
(Ank_2) 		5 GLY B 200
ALA B 206
GLU B 173
SER B 198
ASP B 229
 None
 1.08A 5i3cC-1s70B:
undetectable		 5i3cC-1s70B:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6m ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		5 SER A 119
GLY A  70
ALA A   7
VAL A  61
ASP A 121
 None
 1.15A 5i3cC-1u6mA:
undetectable		 5i3cC-1u6mA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 SER A 142
GLY A 184
ALA A 202
SER A 140
ILE A 186
 None
 1.07A 5i3cC-1uznA:
2.2		 5i3cC-1uznA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wlk FMN-BINDING PROTEIN

(Desulfovibrio
vulgaris) 		PF01243
(Putative_PNPOx) 		5 GLY A  87
ALA A  19
VAL A  64
SER A 117
ILE A 113
 None
 1.14A 5i3cC-1wlkA:
undetectable		 5i3cC-1wlkA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		5 GLY A  98
VAL A 184
MET A 186
GLU A 187
SER A 209
 None
 0.61A 5i3cC-1ybfA:
24.9		 5i3cC-1ybfA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		5 MET A  71
GLY A  98
VAL A 184
MET A 186
SER A 209
 None
 0.87A 5i3cC-1ybfA:
24.9		 5i3cC-1ybfA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yq1 GLUTATHIONE
S-TRANSFERASE

(Caenorhabditis
elegans) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ALA A  73
GLU A  86
SER A 153
ASP A 154
ILE A 155
 None
 1.20A 5i3cC-1yq1A:
undetectable		 5i3cC-1yq1A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		8 MET A  64
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
 2FD  A 300 (-3.8A)
2FD  A 300 (-3.1A)
2FD  A 300 (-4.7A)
None
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
2FD  A 300 (-3.6A)
None
 0.68A 5i3cC-1z34A:
39.1		 5i3cC-1z34A:
58.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		8 MET A  64
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
ILE A 206
 2FD  A 300 (-3.8A)
2FD  A 300 (-3.1A)
2FD  A 300 (-4.7A)
None
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
2FD  A 300 (-3.6A)
None
 0.50A 5i3cC-1z34A:
39.1		 5i3cC-1z34A:
58.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		5 SER A  76
ALA A  92
VAL A  90
SER A 196
ILE A  84
 MTM  A 301 (-3.1A)
None
None
MTM  A 301 (-3.4A)
None
 1.24A 5i3cC-1zosA:
23.0		 5i3cC-1zosA:
25.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 MTM  A 301 (-3.1A)
MTM  A 301 (-3.6A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
MTM  A 301 (-3.4A)
 0.54A 5i3cC-1zosA:
23.0		 5i3cC-1zosA:
25.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bgh VINORINE SYNTHASE

(Rauvolfia
serpentina) 		PF02458
(Transferase) 		5 GLY A 392
ALA A 395
VAL A 393
GLU A 394
ILE A 226
 None
 1.15A 5i3cC-2bghA:
undetectable		 5i3cC-2bghA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		6 SER A  91
GLY A  93
VAL A 181
GLU A 182
MET A 183
GLU A 184
 NOS  A1248 (-2.9A)
NOS  A1248 (-4.0A)
NOS  A1248 ( 4.4A)
None
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.41A 5i3cC-2bsxA:
32.1		 5i3cC-2bsxA:
28.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		5 GLY A 246
VAL A 238
GLU A 237
GLU A  19
ILE A 432
 None
 1.10A 5i3cC-2glfA:
6.0		 5i3cC-2glfA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ha9 UPF0210 PROTEIN
SP0239

(Streptococcus
pneumoniae) 		PF05167
(DUF711) 		5 MET A 288
GLY A 215
ALA A 222
VAL A 218
ILE A 245
 None
 0.82A 5i3cC-2ha9A:
undetectable		 5i3cC-2ha9A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ha9 UPF0210 PROTEIN
SP0239

(Streptococcus
pneumoniae) 		PF05167
(DUF711) 		5 MET A 288
GLY A 215
ALA A 222
VAL A 218
SER A 270
 None
 1.01A 5i3cC-2ha9A:
undetectable		 5i3cC-2ha9A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		5 SER A  61
GLY A 228
VAL A 227
ASP A 229
ILE A 260
 None
 1.23A 5i3cC-2j7vA:
undetectable		 5i3cC-2j7vA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pju PROPIONATE
CATABOLISM OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF06506
(PrpR_N) 		5 SER A 106
GLY A 108
ALA A 166
VAL A 156
ASP A 131
 None
 1.01A 5i3cC-2pjuA:
undetectable		 5i3cC-2pjuA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4

(Phytolacca
dioica) 		PF00161
(RIP) 		5 GLY A 140
ALA A 176
VAL A 186
GLU A 204
ILE A 141
 None
 1.23A 5i3cC-2qesA:
undetectable		 5i3cC-2qesA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v55 RHO-RELATED
GTP-BINDING PROTEIN
RHOE

(Homo sapiens) 		PF00071
(Ras) 		5 SER B  79
GLY B  30
VAL B  29
SER B  32
ASP B  31
 GTP  B1201 ( 4.7A)
None
None
GTP  B1201 (-3.3A)
None
 1.01A 5i3cC-2v55B:
2.9		 5i3cC-2v55B:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpt LIPOLYTIC ENZYME

(Ruminiclostridium
thermocellum) 		PF13472
(Lipase_GDSL_2) 		5 GLY A  42
VAL A  41
GLU A  91
ASP A  43
ILE A 121
 None
 1.23A 5i3cC-2vptA:
undetectable		 5i3cC-2vptA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zyz PUTATIVE
UNCHARACTERIZED
PROTEIN PAE0789

(Pyrobaculum
aerophilum) 		no annotation 5 SER A  63
GLY A  59
VAL A  66
GLU A  34
ILE A  56
 None
 1.24A 5i3cC-2zyzA:
undetectable		 5i3cC-2zyzA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bdn LAMBDA REPRESSOR

(Escherichia
virus Lambda) 		PF00717
(Peptidase_S24)
PF01381
(HTH_3) 		5 ALA A  66
VAL A  73
GLU A  75
ASP A  14
ILE A  80
 None
 1.23A 5i3cC-3bdnA:
undetectable		 5i3cC-3bdnA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		7 MET A  87
GLY A 142
ALA A 239
GLU A 284
MET A 285
GLU A 286
SER A 309
 R1P  A 401 ( 3.9A)
URA  A 501 (-3.4A)
None
R1P  A 401 ( 4.6A)
R1P  A 401 ( 3.9A)
R1P  A 401 (-2.6A)
URA  A 501 (-3.2A)
 1.10A 5i3cC-3bjeA:
29.3		 5i3cC-3bjeA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		7 SER A  75
GLY A  77
VAL A 170
GLU A 171
MET A 172
GLU A 173
SER A 195
 FMC  A 229 (-3.0A)
FMC  A 229 (-3.6A)
FMC  A 229 ( 4.7A)
FMC  A 229 (-4.7A)
FMC  A 229 (-3.5A)
FMC  A 229 (-2.5A)
FMC  A 229 (-3.5A)
 0.45A 5i3cC-3bl6A:
24.7		 5i3cC-3bl6A:
25.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cq0 PUTATIVE
TRANSALDOLASE
YGR043C

(Saccharomyces
cerevisiae) 		PF00923
(TAL_FSA) 		5 ALA A 134
VAL A  91
GLU A  92
ASP A  87
ILE A 127
 None
None
None
GOL  A 351 (-3.5A)
None
 1.22A 5i3cC-3cq0A:
undetectable		 5i3cC-3cq0A:
25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
 BIG  A 301 (-3.3A)
BIG  A 301 (-3.7A)
BIG  A 301 (-4.9A)
None
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
BIG  A 301 (-3.3A)
 0.44A 5i3cC-3dp9A:
24.2		 5i3cC-3dp9A:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		7 SER A  79
GLY A  81
VAL A 175
GLU A 176
MET A 177
GLU A 178
SER A 200
 MTM  A 234 (-3.1A)
MTM  A 234 (-3.9A)
MTM  A 234 ( 4.9A)
MTM  A 234 (-4.6A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
MTM  A 234 (-3.4A)
 0.47A 5i3cC-3eeiA:
24.3		 5i3cC-3eeiA:
26.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		6 SER A  92
GLY A  94
VAL A 182
GLU A 183
MET A 184
GLU A 185
 SO4  A 254 (-3.2A)
None
None
None
None
None
 0.34A 5i3cC-3emvA:
32.7		 5i3cC-3emvA:
29.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euf URIDINE
PHOSPHORYLASE 1

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 MET A 110
GLY A 143
GLU A 248
MET A 249
GLU A 250
 BAU  A 400 (-3.5A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
 0.31A 5i3cC-3eufA:
24.9		 5i3cC-3eufA:
26.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 149
ALA A  87
VAL A 148
GLU A 143
ASP A 150
 EDO  A 967 (-3.2A)
None
None
None
EDO  A 983 (-4.8A)
 1.17A 5i3cC-3g7rA:
undetectable		 5i3cC-3g7rA:
25.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3grk ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
(NADH)

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 GLY A 229
ALA A 250
VAL A 228
GLU A 227
ILE A  28
 None
 1.15A 5i3cC-3grkA:
undetectable		 5i3cC-3grkA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h5k RIBOSOME-INACTIVATIN
G PROTEIN
PD-L1/PD-L2

(Phytolacca
dioica) 		PF00161
(RIP) 		5 GLY A 140
ALA A 176
VAL A 186
GLU A 204
ILE A 141
 None
 1.19A 5i3cC-3h5kA:
undetectable		 5i3cC-3h5kA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		5 GLY A 115
VAL A 214
MET A 216
SER A 239
ILE A 242
 None
None
TRS  A 294 (-3.7A)
None
None
 0.67A 5i3cC-3khsA:
22.5		 5i3cC-3khsA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		5 MET A 109
GLY A 142
GLU A 247
MET A 248
GLU A 249
 R2B  A 313 (-3.9A)
URA  A 312 (-3.3A)
R2B  A 313 ( 4.4A)
URA  A 312 ( 3.7A)
R2B  A 313 (-2.6A)
 0.34A 5i3cC-3kvyA:
25.3		 5i3cC-3kvyA:
26.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 4CT  A 233 (-3.2A)
4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
None
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
4CT  A 233 (-3.3A)
 0.44A 5i3cC-3o4vA:
24.3		 5i3cC-3o4vA:
24.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 GLY A 106
ALA A 170
VAL A 192
ASP A 218
ILE A 220
 DIH  A 500 (-4.0A)
DIH  A 500 ( 4.8A)
DIH  A 500 (-4.8A)
DIH  A 500 (-3.1A)
None
 0.94A 5i3cC-3of3A:
41.5		 5i3cC-3of3A:
80.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 GLY A 191
ALA A 170
VAL A 192
GLU A 193
MET A 194
GLU A 195
 None
DIH  A 500 ( 4.8A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
 1.37A 5i3cC-3of3A:
41.5		 5i3cC-3of3A:
80.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		10 MET A  78
SER A 104
GLY A 106
ALA A 170
VAL A 192
GLU A 193
MET A 194
GLU A 195
SER A 217
ILE A 220
 DIH  A 500 (-3.6A)
PO4  A 501 ( 2.7A)
DIH  A 500 (-4.0A)
DIH  A 500 ( 4.8A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
DIH  A 500 (-3.3A)
None
 0.40A 5i3cC-3of3A:
41.5		 5i3cC-3of3A:
80.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 MET A 116
GLY A 149
GLU A 254
MET A 255
GLU A 256
 BAU  A 400 (-3.4A)
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
 0.34A 5i3cC-3p0fA:
24.8		 5i3cC-3p0fA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		5 GLY A 145
ALA A 152
VAL A 148
GLU A 151
ILE A  90
 None
 1.20A 5i3cC-3pg1A:
undetectable		 5i3cC-3pg1A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rof LOW MOLECULAR WEIGHT
PROTEIN-TYROSINE-PHO
SPHATASE PTPA

(Staphylococcus
aureus) 		PF01451
(LMWPc) 		5 GLY A  40
ALA A   5
VAL A   7
GLU A  19
SER A  43
 None
 0.93A 5i3cC-3rofA:
undetectable		 5i3cC-3rofA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3saj GLUTAMATE RECEPTOR 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 GLY A 278
ALA A 285
VAL A 281
GLU A 284
ILE A  91
 None
 1.17A 5i3cC-3sajA:
undetectable		 5i3cC-3sajA:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl6 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Entamoeba
histolytica) 		PF01048
(PNP_UDP_1) 		8 MET A  69
GLY A  97
ALA A 161
VAL A 182
GLU A 183
MET A 184
GLU A 185
ASP A 208
 None
None
None
None
None
None
SO4  A 239 ( 4.4A)
None
 0.78A 5i3cC-3tl6A:
35.5		 5i3cC-3tl6A:
48.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl6 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Entamoeba
histolytica) 		PF01048
(PNP_UDP_1) 		9 MET A  69
SER A  95
GLY A  97
ALA A 161
VAL A 182
GLU A 183
MET A 184
GLU A 185
SER A 207
 None
SO4  A 239 (-3.4A)
None
None
None
None
None
SO4  A 239 ( 4.4A)
None
 0.49A 5i3cC-3tl6A:
35.5		 5i3cC-3tl6A:
48.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		9 MET A  64
GLY A  92
ALA A 156
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
ILE A 206
 None
None
None
None
None
None
SO4  A 236 ( 4.4A)
None
None
 0.56A 5i3cC-3uavA:
37.8		 5i3cC-3uavA:
55.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbb DIAMINOPIMELATE
DEHYDROGENASE

(Symbiobacterium
thermophilum) 		PF01408
(GFO_IDH_MocA)
PF16654
(DAPDH_C) 		5 SER A 169
GLY A 153
ALA A 160
VAL A 156
SER A 151
 None
 1.21A 5i3cC-3wbbA:
undetectable		 5i3cC-3wbbA:
23.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		9 MET A  64
GLY A  92
ALA A 156
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
ADE  A 301 (-3.5A)
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.68A 5i3cC-4daoA:
36.9		 5i3cC-4daoA:
53.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		9 MET A  64
SER A  90
GLY A  92
ALA A 156
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.45A 5i3cC-4daoA:
36.9		 5i3cC-4daoA:
53.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.79A 5i3cC-4g41A:
24.8		 5i3cC-4g41A:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.69A 5i3cC-4g41A:
24.8		 5i3cC-4g41A:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gys ALLOPHANATE
HYDROLASE

(Granulibacter
bethesdensis) 		PF01425
(Amidase) 		5 SER A 172
GLY A 166
VAL A 207
SER A 149
ILE A  77
 MLI  A1000 (-4.2A)
None
None
None
None
 1.24A 5i3cC-4gysA:
undetectable		 5i3cC-4gysA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hb9 SIMILARITIES WITH
PROBABLE
MONOOXYGENASE

(Photorhabdus
laumondii) 		PF01494
(FAD_binding_3) 		5 SER A  36
ALA A 237
VAL A 232
GLU A 233
GLU A 115
 None
 1.19A 5i3cC-4hb9A:
undetectable		 5i3cC-4hb9A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 SER B 131
GLY B 225
ALA B 206
VAL B 224
ILE B 183
 None
 1.15A 5i3cC-4hdsB:
undetectable		 5i3cC-4hdsB:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE

(Francisella
philomiragia) 		PF01048
(PNP_UDP_1) 		5 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.52A 5i3cC-4josA:
23.7		 5i3cC-4josA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE

(Sulfurimonas
denitrificans) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.54A 5i3cC-4jwtA:
23.4		 5i3cC-4jwtA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
GLU A 173
MET A 174
GLU A 175
SER A 197
 EDO  A 301 (-3.3A)
None
None
None
None
 0.81A 5i3cC-4kn5A:
23.7		 5i3cC-4kn5A:
25.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		7 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
None
 1.43A 5i3cC-4l0mA:
23.1		 5i3cC-4l0mA:
24.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		7 MET A  65
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
ASP A 205
 None
None
None
None
None
PO4  A 301 ( 4.7A)
None
 0.89A 5i3cC-4ldnA:
38.3		 5i3cC-4ldnA:
52.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		8 MET A  65
SER A  91
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
ILE A 207
 None
PO4  A 301 (-3.0A)
None
None
None
None
PO4  A 301 ( 4.7A)
None
 0.44A 5i3cC-4ldnA:
38.3		 5i3cC-4ldnA:
52.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lkr PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		7 MET A  64
SER A  90
GLY A  92
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
 0.82A 5i3cC-4lkrA:
38.2		 5i3cC-4lkrA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		7 MET A  64
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ASP A 204
 None
 0.73A 5i3cC-4m3nA:
37.9		 5i3cC-4m3nA:
52.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		7 MET A  64
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
 0.41A 5i3cC-4m3nA:
37.9		 5i3cC-4m3nA:
52.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7w PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Leptotrichia
buccalis) 		PF01048
(PNP_UDP_1) 		7 MET A  65
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
ASP A 205
 None
None
None
None
None
PO4  A 400 ( 4.4A)
None
 0.81A 5i3cC-4m7wA:
39.7		 5i3cC-4m7wA:
51.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7w PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Leptotrichia
buccalis) 		PF01048
(PNP_UDP_1) 		7 MET A  65
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
SER A 204
 None
None
None
None
None
PO4  A 400 ( 4.4A)
None
 0.49A 5i3cC-4m7wA:
39.7		 5i3cC-4m7wA:
51.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		5 SER A 154
GLY A 148
VAL A 189
SER A 131
ILE A  55
 GLN  A 501 (-1.2A)
None
None
None
None
 1.17A 5i3cC-4n0iA:
undetectable		 5i3cC-4n0iA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 5 SER A 518
GLY A 571
VAL A 570
ASP A 572
ILE A 573
 None
 1.23A 5i3cC-4oj5A:
undetectable		 5i3cC-4oj5A:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		6 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
 0.40A 5i3cC-4pr3A:
15.8		 5i3cC-4pr3A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 7 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.48A 5i3cC-4qezB:
23.2		 5i3cC-4qezB:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 5 GLY A  74
VAL A 135
MET A 137
GLU A 138
SER A 160
 None
 0.41A 5i3cC-4qfbA:
17.5		 5i3cC-4qfbA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv1 ENGINEERED PROTEIN
OR497

(synthetic
construct) 		PF00514
(Arm) 		5 GLY A 129
ALA A 165
VAL A 130
GLU A 131
ILE A 124
 None
 1.19A 5i3cC-4rv1A:
undetectable		 5i3cC-4rv1A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A3557
ALA A3442
VAL A3571
SER A3559
ILE A3449
 None
 1.22A 5i3cC-4tktA:
undetectable		 5i3cC-4tktA:
16.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		6 MET A  86
GLY A 114
GLU A 201
MET A 202
GLU A 203
ASP A 226
 None
None
None
None
SO4  A 301 ( 4.4A)
None
 0.74A 5i3cC-4tymA:
38.5		 5i3cC-4tymA:
44.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		6 MET A  86
GLY A 114
GLU A 201
MET A 202
GLU A 203
SER A 225
 None
None
None
None
SO4  A 301 ( 4.4A)
None
 0.41A 5i3cC-4tymA:
38.5		 5i3cC-4tymA:
44.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zpj EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Sphaerobacter
thermophilus) 		PF13458
(Peripla_BP_6) 		5 GLY A 370
ALA A 377
VAL A 373
GLU A 376
ILE A 174
 None
 1.14A 5i3cC-4zpjA:
undetectable		 5i3cC-4zpjA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7n MTA/SAH NUCLEOSIDASE

(Aeromonas
hydrophila) 		PF01048
(PNP_UDP_1) 		6 GLY A 106
ALA A 196
GLU A 219
MET A 220
GLU A 221
SER A 243
 SAH  A 301 (-3.2A)
None
SAH  A 301 (-4.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.6A)
SAH  A 301 ( 4.0A)
 0.74A 5i3cC-5b7nA:
23.9		 5i3cC-5b7nA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2i ALR1585 PROTEIN

(Nostoc sp. PCC
7120) 		PF04261
(Dyp_perox) 		5 SER A 250
GLY A 252
VAL A 240
GLU A 241
SER A 461
 None
 1.18A 5i3cC-5c2iA:
undetectable		 5i3cC-5c2iA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.48A 5i3cC-5dk6A:
24.2		 5i3cC-5dk6A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		5 SER A 340
GLY A 332
ALA A 298
GLU A 364
ILE A 555
 None
 1.21A 5i3cC-5fn4A:
6.4		 5i3cC-5fn4A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 SER A 177
GLY A 171
VAL A 212
SER A 154
ILE A  82
 None
 1.13A 5i3cC-5i8iA:
undetectable		 5i3cC-5i8iA:
9.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iz1 FRUCTOSE-1,6-BISPHOS
PHATASE

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 GLY A 276
VAL A 267
MET A 259
SER A 289
ILE A 293
 None
 0.81A 5i3cC-5iz1A:
undetectable		 5i3cC-5iz1A:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		6 GLY A  80
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
 4CT  A 301 (-3.4A)
4CT  A 301 ( 4.5A)
None
4CT  A 301 (-3.0A)
4CT  A 301 (-2.2A)
4CT  A 301 ( 2.8A)
 0.45A 5i3cC-5k1zA:
24.0		 5i3cC-5k1zA:
25.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 5 ALA A 320
VAL A 322
GLU A 321
ASP A 298
ILE A 299
 None
 1.18A 5i3cC-5oydA:
undetectable		 5i3cC-5oydA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
 TRS  A 302 (-2.8A)
9DA  A 301 (-3.5A)
None
TRS  A 302 ( 4.6A)
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
9DA  A 301 (-3.2A)
 0.47A 5i3cC-5ue1A:
24.6		 5i3cC-5ue1A:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cfw MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA

(Pyrococcus
furiosus) 		no annotation 5 GLY L 119
ALA L 369
VAL L 118
GLU L  20
ILE L 122
 None
 1.11A 5i3cC-6cfwL:
undetectable		 5i3cC-6cfwL:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 5 GLY A  68
ALA A  45
VAL A  71
ASP A  67
ILE A  15
 None
 1.17A 5i3cC-6cw5A:
undetectable		 5i3cC-6cw5A:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6et7 DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 5 ALA A 631
VAL A 591
GLU A 593
ASP A 599
ILE A 611
 None
 0.78A 5i3cC-6et7A:
undetectable		 5i3cC-6et7A:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g7x -

(-) 		no annotation 6 MET A  64
GLY A  92
GLU A 179
MET A 180
GLU A 181
ASP A 204
 None
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.77A 5i3cC-6g7xA:
38.5		 5i3cC-6g7xA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g7x -

(-) 		no annotation 6 MET A  64
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.44A 5i3cC-6g7xA:
38.5		 5i3cC-6g7xA:
undetectable